4-(benzenesulfonyl)piperazin-2-one

C10H12N2O3S — CID 9397001

IUPAC4-(benzenesulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2)CCN1
InChIInChI=1S/C10H12N2O3S/c13-10-8-12(7-6-11-10)16(14,15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKeyJPYWLNSEDGYUKM-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.19
Rot. Bonds2

About 4-(benzenesulfonyl)piperazin-2-one

4-(benzenesulfonyl)piperazin-2-one (PubChem CID 9397001) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(benzenesulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)piperazin-2-one
PubChem CID9397001
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-(benzenesulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2)CCN1
InChIInChI=1S/C10H12N2O3S/c13-10-8-12(7-6-11-10)16(14,15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKeyJPYWLNSEDGYUKM-UHFFFAOYSA-N
XLogP-0.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)piperazin-2-one?
The IUPAC name of 4-(benzenesulfonyl)piperazin-2-one (CID 9397001) is 4-(benzenesulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)piperazin-2-one?
The canonical SMILES for 4-(benzenesulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)c2ccccc2)CCN1.
What is the InChIKey of 4-(benzenesulfonyl)piperazin-2-one?
The InChIKey is JPYWLNSEDGYUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-10-8-12(7-6-11-10)16(14,15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13).
What are the key properties of 4-(benzenesulfonyl)piperazin-2-one?
4-(benzenesulfonyl)piperazin-2-one has a molecular weight of 240.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)piperazin-2-one is sourced from PubChem (CID 9397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).